2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-4-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CN=C1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O3/c1-16-13-23-9-8-17(16)14-25(2)21(27)12-19-22(28)24-10-11-26(19)15-18-6-4-5-7-20(18)29-3/h4-9,13,19H,10-12,14-15H2,1-3H3,(H,24,28)/p+1/t19-/m1/s1